YMg14Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028098 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

YMg14Ni

MP-ID

mp-1028098

Elements

Sites

Density

2.2444

g/cm³

Volume

360.95

Å³

Cell a

6.3870

Cell b

6.3870

Cell c

10.2170

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.02	5.5313	25.8	(1,0,-1,0)
17.36	5.1085	6.8	(0,0,0,2)
23.71	3.7528	10.3	(1,0,-1,2)
23.71	3.7528	5.2	(0,1,-1,2)
26.17	3.4057	1.1	(0,0,0,3)
27.94	3.1935	6.0	(2,-1,-1,0)
29.30	3.0481	1.2	(2,-1,-1,1)
30.83	2.9001	2.1	(1,0,-1,3)
32.37	2.7657	27.3	(2,0,-2,0)
33.08	2.7079	2.4	(2,-1,-1,2)
33.08	2.7079	4.8	(1,1,-2,2)
35.13	2.5543	24.0	(0,0,0,4)
36.96	2.4321	100.0	(2,0,-2,2)
38.83	2.3189	5.2	(1,0,-1,4)
43.28	2.0906	2.5	(3,-1,-2,0)
45.47	1.9947	3.4	(2,-1,-1,4)
46.96	1.9349	7.3	(3,-1,-2,2)
48.52	1.8764	16.5	(2,0,-2,4)
52.79	1.7343	1.3	(3,0,-3,2)
55.95	1.6435	1.2	(2,0,-2,5)
56.55	1.6275	1.5	(1,0,-1,6)
56.92	1.6178	2.1	(3,-1,-2,4)
57.74	1.5968	5.7	(4,-2,-2,0)
57.74	1.5968	11.4	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

0.05989

eV/atom

Energy/atom

-2.13485

eV/atom

Energy above Hull

0.1145

eV/atom

Uncorrected Energy

-2.1349

eV/atom

Volume/atom

22.56

Å³

c/a Ratio

1.5997

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0017

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.4747

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.445%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1483

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.344

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.786

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmwg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028098

Reference Citation

The crystal structure and related material properties of YMg14Ni were obtained from the Materials Project database (MP-ID: mp-1028098, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_YMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38700658
_cell_length_b   6.38700607
_cell_length_c   10.21701561
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Ni
_chemical_formula_sum   'Y1 Mg14 Ni1'
_cell_volume   360.95193077
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17904115  0.83952007  0.12500000  1.0
  Mg  Mg2  1  0.15989189  0.82994544  0.62500000  1.0
  Mg  Mg3  1  0.66047993  0.32095885  0.12500000  1.0
  Mg  Mg4  1  0.67005456  0.34010811  0.62500000  1.0
  Mg  Mg5  1  0.66047993  0.83952007  0.12500000  1.0
  Mg  Mg6  1  0.67005456  0.82994544  0.62500000  1.0
  Mg  Mg7  1  0.32631900  0.17368100  0.39468539  1.0
  Mg  Mg8  1  0.32631900  0.17368100  0.85531461  1.0
  Mg  Mg9  1  0.32631900  0.65263899  0.39468539  1.0
  Mg  Mg10  1  0.32631900  0.65263899  0.85531461  1.0
  Mg  Mg11  1  0.84736101  0.17368100  0.39468539  1.0
  Mg  Mg12  1  0.84736101  0.17368100  0.85531461  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36569442  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88430558  1.0
  Ni  Ni15  1  0.16666700  0.33333300  0.62500000  1.0

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